methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate

C14H20O3 — CID 10752293

IUPACmethyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate
SMILESCOC(=O)[C@@H](C(C)C)[C@@H](OC)c1ccccc1
InChIInChI=1S/C14H20O3/c1-10(2)12(14(15)17-4)13(16-3)11-8-6-5-7-9-11/h5-10,12-13H,1-4H3/t12-,13-/m0/s1
InChIKeySKOUVXLGFSVMSL-STQMWFEESA-N
MW236.31 g/mol
LogP2.82
Rot. Bonds5

About methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate

methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate (PubChem CID 10752293) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate
PubChem CID10752293
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate
SMILESCOC(=O)[C@@H](C(C)C)[C@@H](OC)c1ccccc1
InChIInChI=1S/C14H20O3/c1-10(2)12(14(15)17-4)13(16-3)11-8-6-5-7-9-11/h5-10,12-13H,1-4H3/t12-,13-/m0/s1
InChIKeySKOUVXLGFSVMSL-STQMWFEESA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3,3-dimethylbutanoate
CID 10538647
methyl (2S)-2-[(S)-fluoro(phenyl)methyl]-3-methylbutanoate
CID 23234245
methyl (2R)-2-[(R)-methoxy(phenyl)methyl]-3,3-dimethylbutanoate
CID 10658335
methyl (2S,3S)-2-[(R)-hydroxy(phenyl)methyl]-3-phenylbutanoate
CID 101428067
methyl (2R)-2-[(S)-(benzylamino)-phenylmethyl]-3-methylbutanoate
CID 102070939
methyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate
CID 100984979
methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate
CID 134922175
methyl 2-deuterio-2-phenylpropanoate
CID 11984149
methyl 2-methyl-3,3-diphenylpropanoate
CID 14089584
methyl 4-amino-2-phenylpentanoate
CID 57041145
methyl (E,4S,5R)-5-methoxy-4-methyl-5-phenylpent-2-enoate
CID 134943373
dimethyl 2-phenylpropanedioate;ethane
CID 91499304

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate?
The IUPAC name of methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate (CID 10752293) is methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate.
What is the SMILES notation for methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate?
The canonical SMILES for methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate is COC(=O)[C@@H](C(C)C)[C@@H](OC)c1ccccc1.
What is the InChIKey of methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate?
The InChIKey is SKOUVXLGFSVMSL-STQMWFEESA-N. The full InChI is InChI=1S/C14H20O3/c1-10(2)12(14(15)17-4)13(16-3)11-8-6-5-7-9-11/h5-10,12-13H,1-4H3/t12-,13-/m0/s1.
What are the key properties of methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate?
methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate has a molecular weight of 236.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate is sourced from PubChem (CID 10752293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).